| SpectraBase Compound ID | IDFCq5D9Fi7 |
|---|---|
| InChI | InChI=1S/C8H7BrO/c1-6(10)7-3-2-4-8(9)5-7/h2-5H,1H3 |
| InChIKey | JYAQYXOVOHJRCS-UHFFFAOYSA-N |
| Mol Weight | 199.05 g/mol |
| Molecular Formula | C8H7BrO |
| Exact Mass | 197.968028 g/mol |
17O Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KlIjk6r0SwC |
|---|---|
| Name | 3-Bromoacetophenone |
| CAS Registry Number | 2142-63-4 |
| Comments | enrichment/labelling |
| Copyright | Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula | C8H7BrO |
| InChI | InChI=1S/C8H7BrO/c1-6(10)7-3-2-4-8(9)5-7/h2-5H,1H3 |
| InChIKey | JYAQYXOVOHJRCS-UHFFFAOYSA-N |
| Literature Reference | J. Am. Chem. Soc. 103, 1128 (1981). |
| NMR Standard | not reported |
| Observed nucleus | 17O |
| Solvent | Dioxane |